7E5H

HUMAN PPAR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH APHM6 OBTAINED BY COCRYSTALLIZATION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-29
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	44.599, 61.923, 53.148
Unit cell angles	90.00, 106.54, 90.00

Refinement procedure

Resolution	42.750 - 1.660
R-factor	0.2046
Rwork	0.203
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2znn
RMSD bond length	0.013
RMSD bond angle	1.298
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.690
High resolution limit [Å]	1.660	1.660
Rmerge	0.027	0.306
Rmeas	0.037	0.425
Rpim	0.025	0.294
Number of reflections	60636	1569
<I/σ(I)>	19.6	3.4
Completeness [%]	99.2	97.8
Redundancy	3.3	3.2
CC(1/2)	0.999	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.1 M Bis-Tris, 25% (w/v) polyethylene glycol (PEG) 3350